4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine

C7H6BrF2IN2 — CID 119010652

IUPAC4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
SMILESNc1nc(C(F)F)cc(CBr)c1I
InChIInChI=1S/C7H6BrF2IN2/c8-2-3-1-4(6(9)10)13-7(12)5(3)11/h1,6H,2H2,(H2,12,13)
InChIKeyZRDVZAQKKKFADY-UHFFFAOYSA-N
MW362.94 g/mol
LogP3.10
Rot. Bonds2

About 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine

4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine (PubChem CID 119010652) has the molecular formula C7H6BrF2IN2 and a molecular weight of 362.94 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
PubChem CID119010652
Molecular FormulaC7H6BrF2IN2
Molecular Weight362.94 g/mol
Exact Mass361.87
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
SMILESNc1nc(C(F)F)cc(CBr)c1I
InChIInChI=1S/C7H6BrF2IN2/c8-2-3-1-4(6(9)10)13-7(12)5(3)11/h1,6H,2H2,(H2,12,13)
InChIKeyZRDVZAQKKKFADY-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.94
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-6-(difluoromethyl)-3-fluoropyridin-2-amine
CID 118999277
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
3-chloro-6-(difluoromethyl)-4-iodopyridin-2-amine
CID 118996077

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine (CID 119010652) is 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine is Nc1nc(C(F)F)cc(CBr)c1I.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine?
The InChIKey is ZRDVZAQKKKFADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2IN2/c8-2-3-1-4(6(9)10)13-7(12)5(3)11/h1,6H,2H2,(H2,12,13).
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine?
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine has a molecular weight of 362.94 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine is sourced from PubChem (CID 119010652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).